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Information card for entry 7250440
Preview
| Coordinates | 7250440.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C13 H15 N3 S |
|---|---|
| Calculated formula | C13 H15 N3 S |
| Title of publication | Electrochemically Driven Tandem Addition–Cyclization: Synthesis of Thiadiazinanes and Thiophosphonates |
| Authors of publication | Zhou, Honghao; Yike, Zhang; Ma, Liting; Liu, Xiangyang; Zhang, Chun; Tong, Feifei; Hu, Dandan; Zhang, Jun-Qi; Yang, Jianguo |
| Journal of publication | Green Chemistry |
| Year of publication | 2025 |
| a | 14.3166 ± 0.0004 Å |
| b | 10.3015 ± 0.0003 Å |
| c | 17.545 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2587.58 ± 0.12 Å3 |
| Cell temperature | 297 ± 2 K |
| Ambient diffraction temperature | 297 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0361 |
| Weighted residual factors for significantly intense reflections | 0.1055 |
| Weighted residual factors for all reflections included in the refinement | 0.1074 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 299792 (current) | 2025-05-23 | cif/ Adding structures of 7250440 via cif-deposit CGI script. |
7250440.cif |
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Users of the data should acknowledge the original authors of the
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